Geometry & MOs

Info

ID:	37394
PubChem CID:	8020564
Reduced:	ClNF3O3H13C14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	413.108622
ΔH_f, kcal/mol:	-264.96
Dipole, Da:	7.07
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2,3,4-trimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations